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2D Structure
Also known as: Propanedioate, Malonate dianion, Malonic acid, ion(2-), Propanedioic acid, ion(2-), 156-80-9, Malonate ion
Molecular Formula
C3H2O4-2
Molecular Weight
102.05  g/mol
InChI Key
OFOBLEOULBTSOW-UHFFFAOYSA-L
FDA UNII
4N2NU7R76L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
propanedioate
2.1.2 InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
2.1.3 InChI Key
OFOBLEOULBTSOW-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(C(=O)[O-])C(=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
4N2NU7R76L
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dithallium Malonate

2. Malonic Acid

3. Malonic Acid, 1,3-(14)c2-labeled

4. Malonic Acid, 2-(14)c-labeled

5. Malonic Acid, Diammonium Salt

6. Malonic Acid, Dipotassium Salt

7. Malonic Acid, Disodium Salt

8. Malonic Acid, Disodium Salt, 1-(14)c-labeled

9. Malonic Acid, Dithallium Salt

10. Malonic Acid, Monocalcium Salt

11. Malonic Acid, Monosodium Salt

12. Malonic Acid, Potassium Salt

13. Malonic Acid, Sodium Salt

14. Monosodium Malonate

15. Propanedioate

16. Thallium Malonate

17. Thallous Malonate

2.3.2 Depositor-Supplied Synonyms

1. Propanedioate

2. Malonate Dianion

3. Malonic Acid, Ion(2-)

4. Propanedioic Acid, Ion(2-)

5. 156-80-9

6. Malonate Ion

7. Malonate Ion(2-)

8. 4n2nu7r76l

9. Chembl359504

10. Malonate(2-)

11. Brn 3904386

12. Malo

13. Malonyl

14. Sodium; Malonate

15. Malonic Acid Dianion

16. Unii-4n2nu7r76l

17. 1,3-dioxidopropane-1,3-dione

18. Chebi:15792

19. Dtxsid10166020

20. (-)ooc-ch2-coo(-)

21. Bdbm50159797

22. Db02201

23. Bb 0254964

24. A807815

25. Q27093252

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 102.05 g/mol
Molecular Formula C3H2O4-2
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass101.99530854 g/mol
Monoisotopic Mass101.99530854 g/mol
Topological Polar Surface Area80.3 Ų
Heavy Atom Count7
Formal Charge-2
Complexity72.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1